N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C24H23FN8O2 — CID 135349243

IUPACN-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cc(C#N)cnc1N1CCN(Cc2ccc(F)c(C#N)c2)CC1
InChIInChI=1S/C24H23FN8O2/c1-31-15-19(24(30-31)35-2)23(34)29-21-10-17(11-26)13-28-22(21)33-7-5-32(6-8-33)14-16-3-4-20(25)18(9-16)12-27/h3-4,9-10,13,15H,5-8,14H2,1-2H3,(H,29,34)
InChIKeyQPURIALVNICVRU-UHFFFAOYSA-N
MW474.50 g/mol
LogP2.28
Rot. Bonds6

About N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 135349243) has the molecular formula C24H23FN8O2 and a molecular weight of 474.50 g/mol. Its IUPAC name is N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID135349243
Molecular FormulaC24H23FN8O2
Molecular Weight474.50 g/mol
Exact Mass474.19
IUPAC NameN-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cc(C#N)cnc1N1CCN(Cc2ccc(F)c(C#N)c2)CC1
InChIInChI=1S/C24H23FN8O2/c1-31-15-19(24(30-31)35-2)23(34)29-21-10-17(11-26)13-28-22(21)33-7-5-32(6-8-33)14-16-3-4-20(25)18(9-16)12-27/h3-4,9-10,13,15H,5-8,14H2,1-2H3,(H,29,34)
InChIKeyQPURIALVNICVRU-UHFFFAOYSA-N
XLogP2.28
TPSA123.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

N-[5-cyano-2-[4-[(5-cyano-2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 150818561
N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 151329422
N-[5-cyano-2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 151138887
methyl 1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carboxylate
CID 103758264
ethyl 4-[(3-cyano-4-fluorophenyl)methyl]piperazine-1-carboxylate
CID 68765124
propan-2-yl 2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-4-methylpyridine-3-carboxylate
CID 67322828
N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 149264745
tert-butyl 4-[(3-cyano-4-fluorophenyl)methyl]piperazine-1-carboxylate
CID 68767674
1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 107882866
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-fluorobenzonitrile
CID 103865064
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-[4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 59427580
N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820430

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 135349243) is N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1cc(C#N)cnc1N1CCN(Cc2ccc(F)c(C#N)c2)CC1.
What is the InChIKey of N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is QPURIALVNICVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O2/c1-31-15-19(24(30-31)35-2)23(34)29-21-10-17(11-26)13-28-22(21)33-7-5-32(6-8-33)14-16-3-4-20(25)18(9-16)12-27/h3-4,9-10,13,15H,5-8,14H2,1-2H3,(H,29,34).
What are the key properties of N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 474.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 135349243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).